N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide

C13H16N2O2S — CID 801462

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NC2=NCCS2)c1
InChIInChI=1S/C13H16N2O2S/c1-9-5-10(2)7-11(6-9)17-8-12(16)15-13-14-3-4-18-13/h5-7H,3-4,8H2,1-2H3,(H,14,15,16)
InChIKeyYFKMJXRRLCZZPY-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.90
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 801462) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID801462
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NC2=NCCS2)c1
InChIInChI=1S/C13H16N2O2S/c1-9-5-10(2)7-11(6-9)17-8-12(16)15-13-14-3-4-18-13/h5-7H,3-4,8H2,1-2H3,(H,14,15,16)
InChIKeyYFKMJXRRLCZZPY-UHFFFAOYSA-N
XLogP1.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methylethyl)phenoxy]-N-(1,3-thiazolin-2-yl)acetamide
CID 1086015
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 801165
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 903129
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 924631
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 2423141
2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 2340817
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2654664
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2960893
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)propanamide
CID 24250942
N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2903852
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 4334699
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 924632

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide (CID 801462) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)NC2=NCCS2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is YFKMJXRRLCZZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-5-10(2)7-11(6-9)17-8-12(16)15-13-14-3-4-18-13/h5-7H,3-4,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 801462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).